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N-(4-Chlorophenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 92-78-4 | C17H12ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
92-78-4
Molecular Formula:
C17H12ClNO2
Molecular Mass:
297.74 g/mol
Names and Synonyms:
N-(4-Chlorophenyl)-3-Hydroxy-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy-
Naphtol AS-E Supra
Sanatol E
Tulathol AS-E
Naphthol AS-E
Kako Grounder E
NSC 50684
Napthol ASE
Conazoic AO
Kiwa Grounder E
Anarthol AS-E
Red RC Base
Naftol AS-E
Dycosthol AS-E
2-Naphthanilide, 4′-chloro-3-hydroxy-
N-(4-Chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide
C.I. 37510
Acna Naphthol PC
Amanil Naphthol AS-E
Amarthol AS-E
Azoic Coupling Component 10
4′-Chloro-3-hydroxy-2-naphthanilide
Cibanaphthol RC
C.I. Azoic Coupling Component 10
Daito Grounder E
Hiltonaphthol AS-E
3-Hydroxy-4′-chloro-2-naphthanilide
Naphtanilide E
Naphtazol E
Naphthol ACNA PC
Naphtoelan E
Identifiers:
SMILES:
O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2cc1O
InChI:
InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.74 g/mol | CAS Common Chemistry |
| 297.74100000000004 g/mol | RDKit | |
| 297.05565630399997 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(Cl)C=C1)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21) | CAS Common Chemistry |
| InChI Key | InChIKey=OHAXNCGNVGGWSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(4-Chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 4.451100000000003 | RDKit |
| Molar Refractivity | 85.01800000000003 | RDKit |
